6-(Phenylacetyl)-2H-1,4-benzoxazin-3(4H)-one

Base Information

Chemical Name:6-(Phenylacetyl)-2H-1,4-benzoxazin-3(4H)-one
CAS No.:943993-99-5
Molecular Formula:C₁₆H₁₃NO₃
Molecular Weight:267.284
Hs Code.:
DSSTox Substance ID:DTXSID90655886
Wikidata:Q82570243

Synonyms:6-(Phenylacetyl)-2H-1,4-benzoxazin-3(4H)-one;943993-99-5;SCHEMBL4293605;6-(2-phenylacetyl)-2H-benzo[b][1,4]oxazin-3(4H)-one;DTXSID90655886;BLEUOEWJFLTGAV-UHFFFAOYSA-N;6-PHENYLACETYL-4H-BENZO[1,4]OXAZIN-3-ONE

Suppliers and Price of 6-(Phenylacetyl)-2H-1,4-benzoxazin-3(4H)-one

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 6-(Phenylacetyl)-2H-1,4-benzoxazin-3(4H)-one

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:267.08954328
Heavy Atom Count:20
Complexity:376

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CC3=CC=CC=C3

Technology Process of 6-(Phenylacetyl)-2H-1,4-benzoxazin-3(4H)-one

There total 4 articles about 6-(Phenylacetyl)-2H-1,4-benzoxazin-3(4H)-one which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 85.0%

: 103-82-2
phenylacetic acid

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

: 943993-99-5
6-(phenylacetyl)-2H-1,4-benzoxazin-3(4H)-one

Guidance literature:: phenylacetic acid; 3,4-dihydro-3-oxo-2H-1,4-benzoxazine; With phosphoric acid; trifluoroacetic anhydride; at 0 - 20 ℃; Inert atmosphere;

With sodium hydrogencarbonate; In water; at 0 ℃; pH=7; Inert atmosphere;
DOI:10.1016/j.ejmech.2011.07.045

Reference yield:

: 103-80-0
phenylacetyl chloride

: 943993-99-5
6-(phenylacetyl)-2H-1,4-benzoxazin-3(4H)-one

Guidance literature:: 3,4-dihydro-3-oxo-2H-1,4-benzoxazine; With aluminum (III) chloride; In 1,2-dichloro-ethane; at 20 ℃; for 0.0833333h;

phenylacetyl chloride; In 1,2-dichloro-ethane; at 20 ℃; for 20.5h;

Reference yield:

: 37682-31-8
ethyl o-nitrophenoxyacetate

: 943993-99-5
6-(phenylacetyl)-2H-1,4-benzoxazin-3(4H)-one

Guidance literature:: Multi-step reaction with 2 steps

1.1: iron; acetic acid / 7 h / 0 °C / Inert atmosphere; Reflux

2.1: phosphoric acid; trifluoroacetic anhydride / 0 - 20 °C / Inert atmosphere

2.2: 0 °C / pH 7 / Inert atmosphere

With phosphoric acid; iron; acetic acid; trifluoroacetic anhydride;
DOI:10.1016/j.ejmech.2011.07.045